mdtools/md_code/Molecule.cpp

#include <cstdlib>

#include "Molecule.hpp"


Molecule::Molecule( int theNMembers, Atom **atomStart ){
  
  nMembers = theNMembers;
  myAtoms = atomStart;

  nBonds = 0;
  nBends = 0;
  nTorsions = 0;
}


void Molecule::setBonds( int theNBonds, Bond** bondStart ){
  nBonds = theNBonds;
  myBonds = bondStart;
}

void Molecule::setBends( int theNBends, Bend** bendStart ){
  nBends = theNBends;
  myBends = bendStart;
}

void Molecule::setTorsions( int theNTorsions, Torsion** torsionStart ){
  nTorsions = theNTorsions;
  myTorsions = torsionStart;
}
Revision:	116
Committed:	Mon Sep 23 15:13:12 2002 UTC (21 years, 11 months ago)
File size:	554 byte(s)
Log Message:	This commit was manufactured by cvs2svn to create tag 'mpi_start'.
#	User	Rev	Content
1	mmeineke	114	#include <cstdlib>
2
3			#include "Molecule.hpp"
4
5
6
7
8			Molecule::Molecule( int theNMembers, Atom **atomStart ){
9
10			nMembers = theNMembers;
11			myAtoms = atomStart;
12
13			nBonds = 0;
14			nBends = 0;
15			nTorsions = 0;
16			}
17
18
19			void Molecule::setBonds( int theNBonds, Bond** bondStart ){
20			nBonds = theNBonds;
21			myBonds = bondStart;
22			}
23
24			void Molecule::setBends( int theNBends, Bend** bendStart ){
25			nBends = theNBends;
26			myBends = bendStart;
27			}
28
29			void Molecule::setTorsions( int theNTorsions, Torsion** torsionStart ){
30			nTorsions = theNTorsions;
31			myTorsions = torsionStart;
32			}